3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide

C17H21N3O3S — CID 118376771

IUPAC3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
SMILESCC(C)S(=O)(=O)Nc1ccc(CNc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C17H21N3O3S/c1-12(2)24(22,23)20-15-8-6-13(7-9-15)11-19-16-5-3-4-14(10-16)17(18)21/h3-10,12,19-20H,11H2,1-2H3,(H2,18,21)
InChIKeyIPVMQYFYTCZKQI-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.55
Rot. Bonds7

About 3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide

3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide (PubChem CID 118376771) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide.

Molecular Properties

Compound Name3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
PubChem CID118376771
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
SMILESCC(C)S(=O)(=O)Nc1ccc(CNc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C17H21N3O3S/c1-12(2)24(22,23)20-15-8-6-13(7-9-15)11-19-16-5-3-4-14(10-16)17(18)21/h3-10,12,19-20H,11H2,1-2H3,(H2,18,21)
InChIKeyIPVMQYFYTCZKQI-UHFFFAOYSA-N
XLogP2.55
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-iodophenyl)methylamino]benzamide
CID 107811157
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
N-[4-[(3,4-difluoroanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939016
3-[(4-ethoxyphenyl)methylamino]benzamide
CID 28650475
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939276
3-(2-propan-2-ylsulfonylethylamino)benzamide
CID 114003703
4-[(3-methylsulfonylanilino)methyl]benzamide
CID 60713201
3-[[3-(difluoromethyl)phenyl]methylamino]benzamide
CID 115526018
N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide
CID 70939182
N-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939476
4-[(3-methylanilino)methyl]benzamide
CID 28564307

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide?
The IUPAC name of 3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide (CID 118376771) is 3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide.
What is the SMILES notation for 3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide?
The canonical SMILES for 3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide is CC(C)S(=O)(=O)Nc1ccc(CNc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide?
The InChIKey is IPVMQYFYTCZKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12(2)24(22,23)20-15-8-6-13(7-9-15)11-19-16-5-3-4-14(10-16)17(18)21/h3-10,12,19-20H,11H2,1-2H3,(H2,18,21).
What are the key properties of 3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide?
3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide is sourced from PubChem (CID 118376771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).